CID 9588589
81862-03-5
Structural Information
- Molecular Formula
- C19H31N3O10S2
- SMILES
- CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)N(C)C(=O)O/N=C(/C(=O)N(C)C)\SC)C
- InChI
- InChI=1S/C19H31N3O10S2/c1-17(2)28-11-9-26-19(13(12(11)29-17)30-18(3,4)32-19)10-27-34(25)22(7)16(24)31-20-14(33-8)15(23)21(5)6/h11-13H,9-10H2,1-8H3/b20-14-/t11-,12-,13+,19+,34?/m1/s1
- InChIKey
- ABQCZWZOIVXIJX-ILCIEYQTSA-N
- Compound name
- methyl (1Z)-2-(dimethylamino)-N-[methyl-[[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methoxysulfinyl]carbamoyl]oxy-2-oxoethanimidothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 526.15238 | 210.3 |
[M+Na]+ | 548.13432 | 212.1 |
[M-H]- | 524.13782 | 218.7 |
[M+NH4]+ | 543.17892 | 221.6 |
[M+K]+ | 564.10826 | 221.0 |
[M+H-H2O]+ | 508.14236 | 211.6 |
[M+HCOO]- | 570.14330 | 214.5 |
[M+CH3COO]- | 584.15895 | 251.9 |
[M+Na-2H]- | 546.11977 | 216.9 |
[M]+ | 525.14455 | 224.9 |
[M]- | 525.14565 | 224.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.